2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Chemical Structure Depiction of
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide
Compound characteristics
| Compound ID: | 6623-0395 |
| Compound Name: | 2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide |
| Molecular Weight: | 453.59 |
| Molecular Formula: | C21 H23 N7 O S2 |
| Smiles: | CCCc1nnc(NC(C(CC)Sc2nc3c(c4ccccc4n3CC=C)nn2)=O)s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.1824 |
| logD: | 5.0601 |
| logSw: | -5.193 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.36 |
| InChI Key: | UDYKYFVIINGQHD-HNNXBMFYSA-N |